N-[(dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide

• ChemBase ID: 567802
• Molecular Formular: C14H19N5O2
• Molecular Mass: 289.33296
• Monoisotopic Mass: 289.15387487
• SMILES: C1(c2nc[nH]c2CCN1)C(=O)N(Cc1c(onc1C)C)C
• Canonical SMILES: CN(C(=O)C1NCCc2c1nc[nH]2)Cc1c(C)noc1C
• InChI: InChI=1S/C14H19N5O2/c1-8-10(9(2)21-18-8)6-19(3)14(20)13-12-11(4-5-15-13)16-7-17-12/h7,13,15H,4-6H2,1-3H3,(H,16,17)
• InChIKey: FJZVWBPVLMXTRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• IUPAC Traditional name: N-[(dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• Synonyms: N-[(3,5-dimethyl-4-isoxazolyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.888797
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.9879398
• LogD (pH = 7.4): -0.82535464
• Log P: -0.7195378
• Molar Refractivity: 78.4276 cm^3
• Polarizability: 29.266293 Å^3
• Polar Surface Area: 87.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.52
• LOG S: -1.32
• Polar Surface Area: 87.05 Å^2
• Rotatable Bonds: 3